SCHEMBL7278646

SCHEMBL7278646

COC(=O)C1=C(C)Nc2[nH]nc(-c3ccccc3)c2C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 3/20 0.57
CACNA1D Q01668 3/20 0.57
CACNA1S Q13698 3/20 0.57
CACNA1C Q13936 3/20 0.57
GUSB P08236 1/20 0.52
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NR3C2 P08235 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
NTSR1 P30989 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7273170 0.83 MAPT (0.61) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9022136 0.82 CACNA1F (0.79) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7272338 0.80 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7282212 0.79 CACNA1B (0.55) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL11858901 0.78 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7270984 0.77 MAPT (0.45) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9562217 0.76 CACNA1F (0.65) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9503033 0.76 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7281794 0.76 NR1I2 (0.45) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL9433755 0.74 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CGUSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed